4-(6,6-dipyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole;5-(6,6-dipyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole

C40H30N10S2 — CID 160729966

IUPAC4-(6,6-dipyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole;5-(6,6-dipyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole
SMILESC1=CC(c2ccncc2)(c2ccncc2)Cc2[nH]nc(-c3cncs3)c21.C1=CC(c2ccncc2)(c2ccncc2)Cc2[nH]nc(-c3cscn3)c21
InChIInChI=1S/2C20H15N5S/c1-6-20(14-2-7-21-8-3-14,15-4-9-22-10-5-15)11-17-16(1)19(25-24-17)18-12-26-13-23-18;1-6-20(14-2-7-21-8-3-14,15-4-9-22-10-5-15)11-17-16(1)19(25-24-17)18-12-23-13-26-18/h2*1-10,12-13H,11H2,(H,24,25)
InChIKeyRUEYUEAQIBRIBJ-UHFFFAOYSA-N
MW714.88 g/mol
LogP7.76
Rot. Bonds6

About 4-(6,6-dipyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole;5-(6,6-dipyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole

4-(6,6-dipyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole;5-(6,6-dipyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole (PubChem CID 160729966) has the molecular formula C40H30N10S2 and a molecular weight of 714.88 g/mol. Its IUPAC name is 4-(6,6-dipyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole;5-(6,6-dipyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(6,6-dipyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole;5-(6,6-dipyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole
PubChem CID160729966
Molecular FormulaC40H30N10S2
Molecular Weight714.88 g/mol
Exact Mass714.21
IUPAC Name4-(6,6-dipyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole;5-(6,6-dipyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole
SMILESC1=CC(c2ccncc2)(c2ccncc2)Cc2[nH]nc(-c3cncs3)c21.C1=CC(c2ccncc2)(c2ccncc2)Cc2[nH]nc(-c3cscn3)c21
InChIInChI=1S/2C20H15N5S/c1-6-20(14-2-7-21-8-3-14,15-4-9-22-10-5-15)11-17-16(1)19(25-24-17)18-12-26-13-23-18;1-6-20(14-2-7-21-8-3-14,15-4-9-22-10-5-15)11-17-16(1)19(25-24-17)18-12-23-13-26-18/h2*1-10,12-13H,11H2,(H,24,25)
InChIKeyRUEYUEAQIBRIBJ-UHFFFAOYSA-N
XLogP7.76
TPSA134.70 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.88
LogP ≤ 57.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 4-(6,6-dipyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole;5-(6,6-dipyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole with MolForge

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Related Compounds

5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(4-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine
CID 137033963
4-[1-[(3-pyridin-3-yl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]-1,3-thiazole
CID 177664163
4-[1-[(3-pyridin-4-yl-1H-pyrazol-5-yl)methyl]piperidin-4-yl]-1,3-thiazole
CID 177665669
4-[6,6-Di(thiophen-3-yl)-1,7-dihydroindazol-3-yl]-1,3-thiazole
CID 21928664
3-Pyridin-4-yl-6,6-di(thiophen-3-yl)-1,7-dihydroindazole
CID 21928686
5-(6,6-Dipyridin-3-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole
CID 21928689
2-(6-Phenyl-6-thiophen-2-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole
CID 21928776
4-(6,6-Dipyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole
CID 21928824
2-(6,6-Dipyridin-2-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole
CID 21928939
4-[6-Phenyl-3-(1,3-thiazol-5-yl)-1,7-dihydroindazol-6-yl]-1,3-thiazole
CID 21929188
6,6-Dipyridin-2-yl-3-thiophen-3-yl-1,7-dihydroindazole
CID 21929194
6,6-Dipyridin-3-yl-3-thiophen-3-yl-1,7-dihydroindazole
CID 21929198

Frequently Asked Questions

What is the IUPAC name of 4-(6,6-dipyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole;5-(6,6-dipyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole?
The IUPAC name of 4-(6,6-dipyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole;5-(6,6-dipyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole (CID 160729966) is 4-(6,6-dipyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole;5-(6,6-dipyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole.
What is the SMILES notation for 4-(6,6-dipyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole;5-(6,6-dipyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole?
The canonical SMILES for 4-(6,6-dipyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole;5-(6,6-dipyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole is C1=CC(c2ccncc2)(c2ccncc2)Cc2[nH]nc(-c3cncs3)c21.C1=CC(c2ccncc2)(c2ccncc2)Cc2[nH]nc(-c3cscn3)c21.
What is the InChIKey of 4-(6,6-dipyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole;5-(6,6-dipyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole?
The InChIKey is RUEYUEAQIBRIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H15N5S/c1-6-20(14-2-7-21-8-3-14,15-4-9-22-10-5-15)11-17-16(1)19(25-24-17)18-12-26-13-23-18;1-6-20(14-2-7-21-8-3-14,15-4-9-22-10-5-15)11-17-16(1)19(25-24-17)18-12-23-13-26-18/h2*1-10,12-13H,11H2,(H,24,25).
What are the key properties of 4-(6,6-dipyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole;5-(6,6-dipyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole?
4-(6,6-dipyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole;5-(6,6-dipyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole has a molecular weight of 714.88 g/mol, XLogP of 7.76, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,6-dipyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole;5-(6,6-dipyridin-4-yl-1,7-dihydroindazol-3-yl)-1,3-thiazole is sourced from PubChem (CID 160729966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).